N-(2-ethoxyethyl)-4-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide

C13H22N4O2S — CID 47248414

IUPACN-(2-ethoxyethyl)-4-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide
SMILESCCOCCNC(=O)N1CCN(c2nc(C)cs2)CC1
InChIInChI=1S/C13H22N4O2S/c1-3-19-9-4-14-12(18)16-5-7-17(8-6-16)13-15-11(2)10-20-13/h10H,3-9H2,1-2H3,(H,14,18)
InChIKeyIXVZHNRMKUTXCC-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.32
Rot. Bonds5

About N-(2-ethoxyethyl)-4-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide

N-(2-ethoxyethyl)-4-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide (PubChem CID 47248414) has the molecular formula C13H22N4O2S and a molecular weight of 298.41 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-4-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-4-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide
PubChem CID47248414
Molecular FormulaC13H22N4O2S
Molecular Weight298.41 g/mol
Exact Mass298.15
IUPAC NameN-(2-ethoxyethyl)-4-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide
SMILESCCOCCNC(=O)N1CCN(c2nc(C)cs2)CC1
InChIInChI=1S/C13H22N4O2S/c1-3-19-9-4-14-12(18)16-5-7-17(8-6-16)13-15-11(2)10-20-13/h10H,3-9H2,1-2H3,(H,14,18)
InChIKeyIXVZHNRMKUTXCC-UHFFFAOYSA-N
XLogP1.32
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyethyl)-4-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide?
The IUPAC name of N-(2-ethoxyethyl)-4-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide (CID 47248414) is N-(2-ethoxyethyl)-4-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-(2-ethoxyethyl)-4-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide?
The canonical SMILES for N-(2-ethoxyethyl)-4-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide is CCOCCNC(=O)N1CCN(c2nc(C)cs2)CC1.
What is the InChIKey of N-(2-ethoxyethyl)-4-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide?
The InChIKey is IXVZHNRMKUTXCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2S/c1-3-19-9-4-14-12(18)16-5-7-17(8-6-16)13-15-11(2)10-20-13/h10H,3-9H2,1-2H3,(H,14,18).
What are the key properties of N-(2-ethoxyethyl)-4-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide?
N-(2-ethoxyethyl)-4-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide has a molecular weight of 298.41 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-4-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide is sourced from PubChem (CID 47248414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).